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Commit aae25fd9 authored by Peter's avatar Peter
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Bug fix to benchmarking script

parent be0b1ae3
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examples/benchmark.py
View file @ aae25fd9
...@@ -92,7 +92,7 @@ def runOneTest(testName, options): ...@@ -92,7 +92,7 @@ def runOneTest(testName, options):
# Run the simulation. # Run the simulation.
integ = mm.LangevinIntegrator(300*unit.kelvin, 91*(1/unit.picoseconds), dt*unit.femtoseconds) integ = mm.LangevinIntegrator(300*unit.kelvin, 91*(1/unit.picoseconds), dt)
integ.setConstraintTolerance(1e-5) integ.setConstraintTolerance(1e-5)
if len(properties) > 0: if len(properties) > 0:
context = mm.Context(system, integ, platform, properties) context = mm.Context(system, integ, platform, properties)
......
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